[2-chloro-4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]carbamic acid

C16H10ClF3N4O2 — CID 67519418

IUPAC[2-chloro-4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]carbamic acid
SMILESO=C(O)Nc1ccc(-n2cnc(-c3ccc(C(F)(F)F)cc3)n2)cc1Cl
InChIInChI=1S/C16H10ClF3N4O2/c17-12-7-11(5-6-13(12)22-15(25)26)24-8-21-14(23-24)9-1-3-10(4-2-9)16(18,19)20/h1-8,22H,(H,25,26)
InChIKeyUADGMPPTWONJAF-UHFFFAOYSA-N
MW382.73 g/mol
LogP4.70
Rot. Bonds3

About [2-chloro-4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]carbamic acid

[2-chloro-4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]carbamic acid (PubChem CID 67519418) has the molecular formula C16H10ClF3N4O2 and a molecular weight of 382.73 g/mol. Its IUPAC name is [2-chloro-4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]carbamic acid.

Molecular Properties

Compound Name[2-chloro-4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]carbamic acid
PubChem CID67519418
Molecular FormulaC16H10ClF3N4O2
Molecular Weight382.73 g/mol
Exact Mass382.04
IUPAC Name[2-chloro-4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]carbamic acid
SMILESO=C(O)Nc1ccc(-n2cnc(-c3ccc(C(F)(F)F)cc3)n2)cc1Cl
InChIInChI=1S/C16H10ClF3N4O2/c17-12-7-11(5-6-13(12)22-15(25)26)24-8-21-14(23-24)9-1-3-10(4-2-9)16(18,19)20/h1-8,22H,(H,25,26)
InChIKeyUADGMPPTWONJAF-UHFFFAOYSA-N
XLogP4.70
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.73
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-chloro-4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]carbamic acid?
The IUPAC name of [2-chloro-4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]carbamic acid (CID 67519418) is [2-chloro-4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]carbamic acid.
What is the SMILES notation for [2-chloro-4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]carbamic acid?
The canonical SMILES for [2-chloro-4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]carbamic acid is O=C(O)Nc1ccc(-n2cnc(-c3ccc(C(F)(F)F)cc3)n2)cc1Cl.
What is the InChIKey of [2-chloro-4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]carbamic acid?
The InChIKey is UADGMPPTWONJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N4O2/c17-12-7-11(5-6-13(12)22-15(25)26)24-8-21-14(23-24)9-1-3-10(4-2-9)16(18,19)20/h1-8,22H,(H,25,26).
What are the key properties of [2-chloro-4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]carbamic acid?
[2-chloro-4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]carbamic acid has a molecular weight of 382.73 g/mol, XLogP of 4.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]carbamic acid is sourced from PubChem (CID 67519418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).